C696-0861 Screening compound: N-(4-ethoxyphenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

C696-0861 Screening compound: N-(4-ethoxyphenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide
C696-0861 Screening compound: N-(4-ethoxyphenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0861
N-(4-ethoxyphenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C696-0861

Molecular Formula

C27H28N4O3 (C27 H28 N4 O3)

Compound Name

N-(4-ethoxyphenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-propylacetamide

IUPAC name

N-(4-ethoxyphenyl)-2-{1-oxo-4-[(pyridin-4-yl)methyl]-12-dihydrophthalazin-2-yl}-N-propylacetamide

SMILES

CCCN(C(CN1N=C(Cc2ccncc2)c(cccc2)c2C1=O)=O)c(cc1)ccc1OCC

InChI

InChI=1S/C27H28N4O3/c1-3-17-30(21-9-11-22(12-10-21)34-4-2)26(32)19-31-27(33)24-8-6-5-7-23(24)25(29-31)18-20-13-15-28-16-14-20/h5-16H,3-4,17-19H2,1-2H3

InChI Key

IYCZYRCAIVZTQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-3.47

Polar Surface Area

58.996

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C696-0861 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C696-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0861?
Check Price and Availability of C696-0861, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C696-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0861
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C696-0861 available by request